Basic information
- CAS
102-31-8- Standard SMILES
Cc1ccc(CC(C)N)cc1C- InChIKey
ZSZUWPRERIPUBM-UHFFFAOYSA-N- Molecular formula
- C11H17N
- Average molar mass
- 163.26 g/mol
- Monoisotopic mass
- 163.13609955
Names & identifiers
- Preferred name
- Xylopropamine
- IUPAC
- 1-(3,4-dimethylphenyl)propan-2-amine
- English name
- Xylopropamine
- Molecular formula
- C11H17N
- Molecular weight
- 163.26
Names & synonyms
Xylopropamine1-(3,4-Dimethylphenyl)-2-aminopropaneUNII-4DB10V9J2I4DB10V9J2I3,4-DimethylamphetamineBenzeneethanamine, alpha,3,4-trimethyl-, sulfatePhenethylamine, .alpha.,3,4-trimethyl-DTXSID709040413,4,.alpha.-TrimethylphenethylamineBenzeneethanamine, .alpha.,3,4-trimethyl-BENZENEETHANAMINE, .ALPHA.,3,4-TRIMETHYL-, SULFATERefChem:195543
Show more names
α,3,4-TrimethylbenzeneethanamineBenzeneethanamine, α,3,4-trimethyl-
3,4,alpha-TrimethylphenethylamineDTXCID101331960Phenethylamine, alpha,3,4-trimethyl-Benzeneethanamine, alpha,3,4-trimethyl-ZSZUWPRERIPUBM-UHFFFAOYSA-N1-(3,4-dimethylphenyl)propan-2-amine102-31-8SCHEMBL161791
Database identifiers
- CAS
102-31-8- PubChem CID
- 26727
- DTXSID
DTXSID70904041- UNII
- 4DB10V9J2I
- Nikkaji
- J5.007E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- FDA UNII
- 4 DB10V9J2I · 4DB10V9J2I
Chemistry & industry
Suppliers1 total
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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